On 13/02/2012 11:00 PM, Anushree Tripathi wrote:
How could we add DPPC group (for 6400 atoms) in index file?I have gone
through the gromacs tutorial
(http://www.gromacs.org/Documentation/Gromacs_Utilities/make_ndx) but
not getting exactly.
make_ndx -f your_coordinate_file_containing_DPPC.gro -n
your_new_index_file.ndx
There will be a group for DPPC based upon whatever is the contents of
the column for the "residue" name in your coordinate file.
See also make_ndx -h and entering "h" for help after you start make_ndx.
Mark
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